6-bromo-N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine

C16H17BrN4 — CID 79953481

IUPAC6-bromo-N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCCCCc1ccc(Nc2nc(Br)cn3ccnc23)cc1
InChIInChI=1S/C16H17BrN4/c1-2-3-4-12-5-7-13(8-6-12)19-15-16-18-9-10-21(16)11-14(17)20-15/h5-11H,2-4H2,1H3,(H,19,20)
InChIKeyITYWTKGHZABLMD-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.58
Rot. Bonds5

About 6-bromo-N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine

6-bromo-N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 79953481) has the molecular formula C16H17BrN4 and a molecular weight of 345.24 g/mol. Its IUPAC name is 6-bromo-N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID79953481
Molecular FormulaC16H17BrN4
Molecular Weight345.24 g/mol
Exact Mass344.06
IUPAC Name6-bromo-N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCCCCc1ccc(Nc2nc(Br)cn3ccnc23)cc1
InChIInChI=1S/C16H17BrN4/c1-2-3-4-12-5-7-13(8-6-12)19-15-16-18-9-10-21(16)11-14(17)20-15/h5-11H,2-4H2,1H3,(H,19,20)
InChIKeyITYWTKGHZABLMD-UHFFFAOYSA-N
XLogP4.58
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 143460860
6-hydrazinyl-N-(4-propylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 80887550
6-bromo-N-hexylimidazo[1,2-a]pyrazin-8-amine
CID 79946477
8-N-(4-ethylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80761933
6-bromo-N-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 79946448
1-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378837
6-bromo-N-(4-phenylbutan-2-yl)imidazo[1,2-a]pyrazin-8-amine
CID 79954125
8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80751543
6-bromo-N-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 79954137
5-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-fluorobenzonitrile
CID 79947258
N-(4-butylphenyl)-1-methylimidazol-2-amine
CID 106561515
6-bromo-N-(3-methylpentan-2-yl)imidazo[1,2-a]pyrazin-8-amine
CID 79958977

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 79953481) is 6-bromo-N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine is CCCCc1ccc(Nc2nc(Br)cn3ccnc23)cc1.
What is the InChIKey of 6-bromo-N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is ITYWTKGHZABLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4/c1-2-3-4-12-5-7-13(8-6-12)19-15-16-18-9-10-21(16)11-14(17)20-15/h5-11H,2-4H2,1H3,(H,19,20).
What are the key properties of 6-bromo-N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine?
6-bromo-N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 345.24 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-butylphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 79953481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).